Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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VANADOALLANITE-(LA)
1, t-epidote, s-allanite
(Ca,Mn)(La''',Nd,Ca)V'''AlFe[Si(2)O(7)][SiO(4)]O(OH)
Monoclinic P 2(1)/m Z = 2
P2(1)/m
23 .1 .15
Ref.Str.:
Nagashima M., Nishio-Hamane D., Tomita N., Minakawa T., Inaba S. (2013)
* Mineral. Mag., 77, 2739-2752
L: $Ca0.76 Mn2+0.69 La3+0.46 Ce0.14 Pr0.07 Nd0.18 V3+0.63 Fe3+0.45 Fe2+0.56
Ti4+0.08 Al0.92 Mg0.06 Si3 O13 H$
R: Locality - Ise, Mie Prefecture, Japan.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.8985 alpha = 90.0
b = 5.765 beta = 114.12
c = 10.1185 gamma = 90.0
Unit cell volume (cub. angs.) = 473.76
Molar volume ( cub.cm/mol.) = 142.68
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2398 0.75 0.1521 0.0 Ca = 0.61, Mn = 0.39
2 0.5934 0.75 0.4281 0.0 La = 0.46, Nd = 0.39, Ca = 0.15
3 0.0 0.0 0.0 0.0 V = 0.58, Fe = 0.34, Ti = 0.08
4 0.0 0.0 0.5 0.0 Al = 0.92, Fe = 0.08
5 0.3091 0.25 0.2119 0.0 Fe = 0.64, Mn = 0.3 , Mg = 0.06
6 0.3446 0.75 0.0356 0.0 Si = 1.00
7 0.6905 0.25 0.2806 0.0 Si = 1.00
8 0.1913 0.75 0.3257 0.0 Si = 1.00
9 0.2401 0.9884 0.0242 0.0 O = 1.00
10 0.3159 0.9702 0.3652 0.0 O = 1.00
11 0.8002 0.014 0.333 0.0 O = 1.00
12 0.059 0.25 0.1373 0.0 O = 1.00
13 0.051 0.75 0.1572 0.0 O = 1.00
14 0.0755 0.75 0.4168 0.0 O = 1.00
15 0.5126 0.75 0.1761 0.0 O = 1.00
16 0.5498 0.25 0.3406 0.0 O = 1.00
17 0.6057 0.25 0.1037 0.0 O = 1.00
18 0.0895 0.25 0.4307 0.0 O = 1.00
19 0.072 0.25 0.328 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2398 0.75 0.1521
2 2 0.5934 0.75 0.4281
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.3091 0.25 0.2119
6 6 0.3446 0.75 0.0356
7 7 0.6905 0.25 0.2806
8 8 0.1913 0.75 0.3257
9 9 0.2401 0.9884 0.0242
10 10 0.3159 0.9702 0.3652
11 11 0.8002 0.014 0.333
12 12 0.059 0.25 0.1373
13 13 0.051 0.75 0.1572
14 14 0.0755 0.75 0.4168
15 15 0.5126 0.75 0.1761
16 16 0.5498 0.25 0.3406
17 17 0.6057 0.25 0.1037
18 18 0.0895 0.25 0.4307
19 19 0.072 0.25 0.328
20 1 0.7602 0.25 0.8479
21 2 0.4066 0.25 0.5719
22 3 0.0 0.5 0.0
23 4 0.0 0.5 0.5
24 5 0.6909 0.75 0.7881
25 6 0.6554 0.25 0.9644
26 7 0.3095 0.75 0.7194
27 8 0.8087 0.25 0.6743
28 9 0.7599 0.4884 0.9758
29 10 0.6841 0.4702 0.6348
30 11 0.1998 0.514 0.667
31 12 0.941 0.75 0.8627
32 13 0.949 0.25 0.8428
33 14 0.9245 0.25 0.5832
34 15 0.4874 0.25 0.8239
35 16 0.4502 0.75 0.6594
36 17 0.3943 0.75 0.8963
37 18 0.9105 0.75 0.5693
38 19 0.928 0.75 0.672
39 9 0.2401 0.5116 0.0242
40 10 0.3159 0.5298 0.3652
41 11 0.8002 0.486 0.333
42 9 0.7599 0.0116 0.9758
43 10 0.6841 0.0298 0.6348
44 11 0.1998 0.986 0.667
X-ray density (g/cm cub.) = 4.21
MU (1/cm) = 689.72 Mass attenuation coefficient (cm**2/g) = 163.865
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Mn 2.88 6
1.8883 9
2.351 10
1.7019 13
2.3387 15
1.8883 9
2.351 10
2 La ,Nd ,Ca 2.88 8
2.6136 10
2.8417 11
2.3497 15
2.4995 10
2.5897 18
2.6136 10
2.8417 11
2.4995 10
3 V ,Fe ,Ti 2.592 6
2.0498 9
1.9201 12
2.0551 13
1.9201 12
2.0551 13
2.0498 9
4 Al ,Fe 2.592 6
1.8888 11
1.9234 14
1.913 18
1.9234 14
1.913 18
1.8888 11
5 Fe ,Mn ,Mg 2.724 6
2.3034 9
2.2214 10
2.0371 12
2.0009 16
2.3034 9
2.2214 10
6 Si 2.1 4
1.6368 9
1.5871 15
1.6407 17
1.6368 9
7 Si 2.1 4
1.6316 11
1.5992 16
1.6338 17
1.6316 11
8 Si 2.1 4
1.6243 10
1.651 13
1.6395 14
1.6243 10
9 O 3.264 9
3.2356 10
2.7728 12
2.8952 13
2.6618 15
2.844 12
2.9099 13
2.6264 17
3.0162 9
2.7488 9
10 O 3.264 9
3.2356 9
2.9727 12
2.7464 13
2.7154 14
2.7239 16
2.862 18
2.999 16
3.2261 10
2.5389 10
11 O 3.264 9
2.709 14
2.84 15
2.6385 16
2.6359 17
2.7158 18
2.6824 14
2.6606 18
2.7211 11
3.0439 11
12 O 3.264 10
2.7728 9
2.9727 10
2.8924 13
2.8924 13
2.8686 18
2.844 9
2.7302 13
2.7728 9
2.9727 10
2.844 9
13 O 3.264 10
2.8952 9
2.7464 10
2.8924 12
2.8924 12
2.5455 14
2.9099 9
2.7302 12
2.8952 9
2.7464 10
2.9099 9
14 O 3.264 11
2.7154 10
2.709 11
2.5455 13
2.8861 18
2.8861 18
2.6824 11
3.2332 16
2.5276 18
2.7154 10
2.709 11
2.6824 11
15 O 3.264 7
2.6618 9
2.84 11
3.1667 17
3.1667 17
2.5861 17
2.6618 9
2.84 11
16 O 3.264 8
2.7239 10
2.6385 11
2.6397 17
2.999 10
3.2332 14
2.7239 10
2.6385 11
2.999 10
17 O 3.264 8
2.6359 11
3.1667 15
3.1667 15
2.6397 16
2.6264 9
2.5861 15
2.6359 11
2.6264 9
18 O 3.264 10
2.862 10
2.7158 11
2.8686 12
2.8861 14
2.8861 14
2.6606 11
2.5276 14
2.862 10
2.7158 11
2.6606 11
19 H 1.632 1
0.9858 18
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 5.558 11.116 0.054 210.23 2 36.6 250.4
2 1 0 0 6.323 12.646 0.062 161.92 2 31.5 143.3
3 1 0 -1 6.494 12.988 0.063 153.38 2 121.2 2009.1
4 1 0 1 10.012 20.025 0.097 63.25 2 2.1 0.3
5 1 0 -2 10.34 20.68 0.1 59.17 2 129.0 876.8
6 0 1 1 10.539 21.078 0.102 56.88 4 27.7 77.5
7 1 1 0 10.968 21.937 0.106 52.35 4 27.1 68.5
8 1 1 -1 11.07 22.139 0.107 51.36 4 66.2 401.1
9 0 0 2 11.169 22.339 0.108 50.4 2 61.2 168.4
10 2 0 -1 11.604 23.209 0.112 46.54 2 6.4 1.7
11 2 0 0 12.725 25.449 0.123 38.36 2 17.9 11.0
12 2 0 -2 13.074 26.147 0.126 36.23 2 53.4 92.1
13 1 1 1 13.475 26.951 0.13 33.98 4 64.8 254.5
14 1 1 -2 13.724 27.449 0.133 32.69 4 67.7 266.9
15 0 1 2 14.37 28.74 0.139 29.64 4 50.7 135.9
16 2 1 -1 14.717 29.433 0.142 28.17 4 109.9 606.4
17 1 0 2 15.012 30.023 0.145 27.0 2 56.3 76.2
18 1 0 -3 15.387 30.774 0.148 25.61 2 3.4 0.3
19 2 1 0 15.63 31.26 0.151 24.76 4 72.0 228.7
20 2 1 -2 15.92 31.841 0.153 23.79 4 33.6 47.8
21 2 0 1 15.931 31.861 0.153 23.76 2 90.4 172.9
22 2 0 -3 16.497 32.994 0.159 22.03 2 57.3 64.4
23 0 0 3 16.892 33.783 0.162 20.93 2 22.8 9.7
24 1 1 2 17.574 35.147 0.169 19.2 4 19.9 13.5
25 3 0 -1 17.696 35.391 0.17 18.91 2 37.7 24.0
26 3 0 -2 17.891 35.783 0.172 18.46 2 76.5 96.3
27 1 1 -3 17.901 35.801 0.172 18.44 4 141.9 661.9
28 0 2 0 18.078 36.155 0.173 18.05 2 181.3 528.7
29 2 1 1 18.378 36.757 0.176 17.4 4 70.6 154.7
30 2 1 -3 18.88 37.76 0.181 16.4 4 28.8 24.2
31 0 2 1 18.97 37.94 0.182 16.23 4 52.7 80.3
32 1 2 0 19.225 38.449 0.184 15.76 4 138.8 541.0
33 0 1 3 19.232 38.464 0.184 15.75 4 133.7 501.4
34 1 2 -1 19.286 38.571 0.185 15.65 4 67.4 126.7
35 3 0 0 19.293 38.586 0.185 15.64 2 118.1 194.2
36 3 0 -3 19.835 39.669 0.19 14.7 2 87.1 99.5
37 3 1 -1 19.954 39.908 0.191 14.51 4 132.4 453.1
38 3 1 -2 20.131 40.262 0.192 14.23 4 10.9 3.0
39 2 0 2 20.348 40.697 0.194 13.89 2 167.3 346.4
40 1 0 3 20.506 41.012 0.196 13.65 2 26.6 8.6
41 1 2 1 20.836 41.672 0.199 13.18 4 27.6 17.8
42 1 0 -4 20.908 41.815 0.199 13.07 2 40.0 18.6
43 1 2 -2 21.007 42.014 0.2 12.94 4 8.6 1.7
44 2 0 -4 21.038 42.075 0.201 12.89 2 57.6 38.1
45 3 1 0 21.409 42.817 0.204 12.4 4 99.1 217.0
46 0 2 2 21.457 42.914 0.204 12.34 4 68.0 101.8
47 2 2 -1 21.703 43.407 0.207 12.02 4 28.3 17.1
48 3 1 -3 21.907 43.814 0.209 11.77 4 37.6 29.6
49 3 0 1 22.358 44.716 0.213 11.25 2 89.3 79.8
50 2 2 0 22.367 44.734 0.213 11.24 4 12.7 3.3
51 2 1 2 22.381 44.763 0.213 11.22 4 17.0 5.8
52 1 1 3 22.527 45.055 0.214 11.06 4 31.6 19.7
53 2 2 -2 22.582 45.164 0.215 11.0 4 95.6 179.2
54 0 0 4 22.794 45.588 0.217 10.77 2 8.0 0.6
55 1 1 -4 22.9 45.801 0.218 10.65 4 101.3 194.9
56 2 1 -4 23.021 46.043 0.219 10.53 4 50.3 47.6
57 3 0 -4 23.157 46.313 0.22 10.39 2 153.1 216.9
58 4 0 -2 23.722 47.445 0.225 9.84 2 55.9 27.4
59 1 2 2 23.841 47.682 0.226 9.72 4 143.6 357.5
60 1 2 -3 24.097 48.194 0.228 9.49 4 66.7 75.3
61 4 0 -1 24.242 48.483 0.23 9.36 2 185.3 286.5
62 3 1 1 24.256 48.513 0.23 9.35 4 11.5 2.2
63 2 2 1 24.474 48.948 0.232 9.16 4 140.9 324.2
64 4 0 -3 24.645 49.289 0.233 9.02 2 95.5 73.4
65 0 1 4 24.666 49.333 0.233 9.0 4 75.0 90.2
66 2 2 -3 24.874 49.748 0.235 8.83 4 133.3 279.5
67 3 1 -4 25.008 50.016 0.236 8.72 4 27.1 11.4
68 0 2 3 25.158 50.315 0.238 8.61 4 117.7 212.4
69 2 0 3 25.494 50.987 0.241 8.35 2 126.3 118.6
70 4 1 -2 25.543 51.086 0.241 8.31 4 9.7 1.4
71 3 2 -1 25.746 51.491 0.243 8.17 4 51.4 38.4
72 3 2 -2 25.891 51.782 0.244 8.06 4 16.8 4.0
73 4 1 -1 26.035 52.07 0.245 7.96 4 54.4 42.0
74 4 0 0 26.138 52.276 0.246 7.89 2 38.5 10.4
75 2 0 -5 26.267 52.534 0.247 7.8 2 62.2 26.9
76 1 0 4 26.356 52.713 0.248 7.74 2 48.4 16.1
77 4 1 -3 26.418 52.836 0.249 7.7 4 52.4 37.6
78 3 0 2 26.493 52.986 0.249 7.65 2 33.8 7.8
79 1 0 -5 26.784 53.567 0.252 7.46 2 76.9 39.3
80 4 0 -4 26.898 53.797 0.253 7.39 2 44.9 13.3
81 3 2 0 26.954 53.908 0.253 7.36 4 8.6 1.0
82 2 1 3 27.227 54.455 0.256 7.19 4 63.2 51.1
83 3 2 -3 27.374 54.749 0.257 7.1 4 73.2 67.8
84 3 0 -5 27.479 54.958 0.258 7.04 2 27.8 4.8
85 2 2 2 27.778 55.557 0.261 6.87 4 119.4 174.5
86 4 1 0 27.844 55.687 0.261 6.83 4 17.1 3.6
87 1 2 3 27.903 55.806 0.262 6.8 4 35.7 15.5
88 2 1 -5 27.967 55.935 0.262 6.76 4 5.6 0.4
89 1 1 4 28.053 56.106 0.263 6.72 4 43.6 22.8
90 3 1 2 28.184 56.368 0.264 6.65 4 64.3 49.0
91 1 2 -4 28.223 56.446 0.264 6.63 4 68.0 54.6
92 2 2 -4 28.327 56.654 0.265 6.57 4 132.2 204.6
93 0 3 1 28.387 56.775 0.266 6.54 4 17.7 3.6
94 1 1 -5 28.463 56.925 0.266 6.5 4 15.3 2.7
95 4 1 -4 28.573 57.146 0.267 6.44 4 12.8 1.9
96 1 3 0 28.575 57.151 0.267 6.44 4 9.9 1.1
97 1 3 -1 28.62 57.241 0.268 6.42 4 53.5 32.8
98 0 0 5 28.965 57.93 0.271 6.25 2 93.6 48.8
99 3 1 -5 29.131 58.263 0.272 6.17 4 47.2 24.5
100 4 0 1 29.221 58.443 0.273 6.12 2 2.7 0.0
101 3 2 1 29.4 58.801 0.274 6.04 4 74.1 59.1
102 0 2 4 29.76 59.52 0.277 5.88 4 77.2 62.4
103 1 3 1 29.793 59.587 0.278 5.86 4 60.2 37.8
104 1 3 -2 29.925 59.85 0.279 5.81 4 50.5 26.4
105 3 2 -4 30.062 60.123 0.28 5.75 4 74.6 57.0
106 5 0 -2 30.236 60.472 0.281 5.67 2 174.0 153.0
107 0 3 2 30.276 60.551 0.282 5.66 4 38.0 14.5
108 4 0 -5 30.279 60.558 0.282 5.66 2 16.2 1.3
109 5 0 -3 30.454 60.908 0.283 5.58 2 35.9 6.4
110 2 3 -1 30.469 60.937 0.283 5.58 4 96.6 92.8
111 4 2 -2 30.536 61.071 0.284 5.55 4 106.7 112.6
112 0 1 5 30.565 61.131 0.284 5.54 4 11.3 1.3
113 4 1 1 30.814 61.627 0.286 5.44 4 38.9 14.7
114 4 2 -1 30.974 61.949 0.288 5.38 4 55.4 29.5
115 2 3 0 30.994 61.988 0.288 5.37 4 67.6 43.8
116 2 3 -2 31.166 62.331 0.289 5.3 4 34.2 11.1
117 2 0 4 31.2 62.4 0.29 5.29 2 86.9 35.6
118 5 0 -1 31.244 62.487 0.29 5.28 2 33.3 5.2
119 4 2 -3 31.318 62.635 0.291 5.25 4 7.6 0.5
120 3 0 3 31.439 62.878 0.292 5.2 2 58.8 16.0
121 5 1 -2 31.798 63.596 0.295 5.08 4 28.6 7.4
122 4 1 -5 31.84 63.679 0.295 5.06 4 104.5 98.4
123 5 0 -4 31.882 63.764 0.295 5.05 2 18.9 1.6
124 5 1 -3 32.01 64.019 0.296 5.0 4 63.3 35.8
125 2 2 3 32.047 64.093 0.297 4.99 4 72.1 46.3
126 2 0 -6 32.051 64.101 0.297 4.99 2 123.6 67.9
127 1 3 2 32.186 64.373 0.298 4.94 4 11.0 1.1
128 1 3 -3 32.397 64.793 0.299 4.87 4 95.5 79.2
129 3 0 -6 32.579 65.159 0.301 4.82 2 8.5 0.3
130 1 0 5 32.598 65.196 0.301 4.81 2 6.0 0.2
131 4 2 0 32.606 65.211 0.301 4.81 4 98.8 83.7
132 2 3 1 32.708 65.416 0.302 4.77 4 60.1 30.8
133 2 2 -5 32.718 65.436 0.302 4.77 4 12.9 1.4
134 2 1 4 32.736 65.472 0.302 4.77 4 71.0 42.8
135 5 1 -1 32.778 65.556 0.303 4.75 4 74.1 46.6
136 1 2 4 32.796 65.592 0.303 4.75 4 60.6 31.1
137 3 2 2 32.916 65.831 0.304 4.71 4 83.2 58.1
138 3 1 3 32.968 65.937 0.304 4.69 4 85.7 61.5
139 2 3 -3 33.041 66.083 0.305 4.67 4 28.5 6.8
140 1 0 -6 33.056 66.113 0.305 4.67 2 178.8 133.0
141 1 2 -5 33.17 66.341 0.306 4.63 4 110.2 100.2
142 4 2 -4 33.271 66.542 0.307 4.6 4 186.9 286.7
143 0 3 3 33.278 66.557 0.307 4.6 4 103.7 88.1
144 4 0 2 33.295 66.589 0.307 4.6 2 27.1 3.0
145 5 1 -4 33.401 66.801 0.308 4.57 4 51.7 21.7
146 5 0 0 33.413 66.826 0.308 4.56 2 82.7 27.8
147 2 1 -6 33.565 67.131 0.309 4.52 4 60.5 29.5
148 3 3 -1 33.774 67.548 0.311 4.46 4 121.7 117.8
149 3 2 -5 33.784 67.568 0.311 4.46 4 7.4 0.4
150 3 3 -2 33.897 67.794 0.312 4.43 4 26.0 5.3
151 3 1 -6 34.082 68.164 0.313 4.38 4 28.8 6.4
152 1 1 5 34.1 68.2 0.313 4.37 4 124.5 120.8
153 5 0 -5 34.438 68.876 0.316 4.28 2 33.2 4.2
154 1 1 -6 34.548 69.097 0.317 4.26 4 54.3 22.4
155 4 0 -6 34.606 69.212 0.317 4.24 2 187.4 132.7
156 4 1 2 34.781 69.563 0.319 4.2 4 134.5 135.3
157 3 3 0 34.806 69.613 0.319 4.19 4 73.2 40.0
158 5 1 0 34.897 69.795 0.32 4.17 4 0.6 0.0
159 0 2 5 35.111 70.222 0.322 4.12 4 41.2 12.4
160 3 3 -3 35.17 70.34 0.322 4.1 4 16.6 2.0
161 4 2 1 35.342 70.684 0.323 4.06 4 2.0 0.0
162 2 3 2 35.521 71.043 0.325 4.02 4 16.5 1.9
163 0 0 6 35.53 71.06 0.325 4.02 2 46.6 7.8
164 1 3 3 35.63 71.26 0.326 4.0 4 43.4 13.4
165 5 1 -5 35.903 71.805 0.328 3.94 4 55.4 21.6
166 1 3 -4 35.91 71.821 0.328 3.94 4 74.9 39.4
167 2 3 -4 36.002 72.003 0.329 3.92 4 29.7 6.2
168 4 1 -6 36.068 72.136 0.329 3.91 4 57.2 22.8
169 5 2 -2 36.263 72.527 0.331 3.86 4 51.5 18.3
170 4 2 -5 36.302 72.605 0.331 3.86 4 33.5 7.7
171 5 2 -3 36.462 72.924 0.332 3.82 4 14.3 1.4
172 5 0 1 36.643 73.286 0.334 3.79 2 47.2 7.5
173 3 3 1 36.951 73.901 0.336 3.73 4 1.2 0.0
174 0 1 6 36.976 73.952 0.336 3.72 4 29.3 5.7
175 3 0 4 37.101 74.202 0.337 3.7 2 4.9 0.1
176 6 0 -3 37.118 74.236 0.337 3.7 2 48.3 7.7
177 2 2 4 37.147 74.294 0.338 3.69 4 30.9 6.3
178 5 2 -1 37.187 74.373 0.338 3.69 4 61.2 24.6
179 0 3 4 37.272 74.544 0.339 3.67 4 61.2 24.5
180 3 2 3 37.367 74.734 0.339 3.65 4 22.1 3.2
181 6 0 -2 37.439 74.878 0.34 3.64 2 2.2 0.0
182 2 0 5 37.478 74.956 0.34 3.63 2 17.2 1.0
183 3 3 -4 37.542 75.084 0.341 3.62 4 30.0 5.8
184 5 2 -4 37.776 75.553 0.342 3.58 4 133.3 113.5
185 6 0 -4 37.91 75.82 0.343 3.56 2 133.8 56.7
186 2 2 -6 37.933 75.866 0.344 3.56 4 136.3 117.8
187 4 3 -2 37.968 75.937 0.344 3.55 4 2.4 0.0
188 5 0 -6 38.021 76.043 0.344 3.54 2 18.3 1.1
189 5 1 1 38.073 76.146 0.345 3.53 4 87.8 48.6
190 4 0 3 38.24 76.481 0.346 3.5 2 69.9 15.3
191 0 4 0 38.361 76.722 0.347 3.49 2 297.4 274.7
192 4 3 -1 38.365 76.73 0.347 3.49 4 39.5 9.7
193 3 0 -7 38.395 76.791 0.347 3.48 2 7.3 0.2
194 2 0 -7 38.418 76.835 0.347 3.48 2 33.4 3.5
195 3 2 -6 38.424 76.849 0.347 3.48 4 44.2 12.1
196 1 2 5 38.442 76.883 0.348 3.47 4 11.9 0.9
197 3 1 4 38.525 77.05 0.348 3.46 4 39.0 9.4
198 6 1 -3 38.542 77.083 0.348 3.46 4 11.0 0.8
199 4 3 -3 38.677 77.354 0.349 3.44 4 45.9 12.9
200 6 1 -2 38.859 77.718 0.351 3.41 4 56.4 19.3
201 6 0 -1 38.864 77.729 0.351 3.41 2 49.0 7.3
202 1 2 -6 38.87 77.739 0.351 3.41 4 29.5 5.3
203 2 1 5 38.897 77.795 0.351 3.4 4 126.2 96.6
204 0 4 1 38.912 77.824 0.351 3.4 4 23.5 3.3
205 1 4 0 39.073 78.146 0.352 3.38 4 23.8 3.4
206 4 2 2 39.093 78.186 0.352 3.38 4 134.6 109.1
207 1 4 -1 39.112 78.224 0.353 3.37 4 75.8 34.5
208 5 2 0 39.204 78.408 0.353 3.36 4 19.2 2.2
209 6 1 -4 39.325 78.649 0.354 3.34 4 96.4 55.4
210 2 3 3 39.343 78.686 0.354 3.34 4 43.2 11.1
211 1 0 6 39.357 78.714 0.354 3.34 2 22.8 1.5
212 5 1 -6 39.435 78.869 0.355 3.33 4 59.1 20.7
213 4 1 3 39.651 79.302 0.357 3.3 4 28.0 4.6
214 4 0 -7 39.793 79.587 0.358 3.28 2 9.6 0.3
215 6 0 -5 39.794 79.588 0.358 3.28 2 57.0 9.5
216 3 1 -7 39.805 79.609 0.358 3.28 4 112.6 74.0
217 2 1 -7 39.827 79.653 0.358 3.28 4 56.1 18.4
218 4 3 0 39.857 79.715 0.358 3.27 4 13.6 1.1
219 1 0 -7 39.86 79.719 0.358 3.27 2 31.6 2.9
220 2 3 -5 39.961 79.923 0.359 3.26 4 7.8 0.3
221 1 3 4 40.033 80.067 0.36 3.25 4 49.4 14.1
222 1 4 1 40.129 80.258 0.36 3.24 4 13.3 1.0
223 3 3 2 40.144 80.288 0.36 3.24 4 37.4 8.1
224 5 2 -5 40.17 80.339 0.361 3.23 4 61.1 21.5
225 1 4 -2 40.244 80.489 0.361 3.22 4 82.1 38.7
226 6 1 -1 40.269 80.538 0.361 3.22 4 90.0 46.5
227 4 2 -6 40.329 80.658 0.362 3.21 4 46.5 12.4
228 1 3 -5 40.38 80.76 0.362 3.21 4 12.0 0.8
229 4 3 -4 40.474 80.947 0.363 3.2 4 4.8 0.1
230 0 4 2 40.552 81.105 0.363 3.19 4 44.2 11.1
231 2 4 -1 40.723 81.445 0.365 3.17 4 4.8 0.1
232 1 1 6 40.757 81.515 0.365 3.16 4 87.9 43.6
233 5 0 2 40.857 81.714 0.366 3.15 2 59.1 9.8
234 3 3 -5 40.951 81.902 0.366 3.14 4 50.7 14.4
235 2 4 0 41.189 82.378 0.368 3.12 4 3.1 0.1
236 4 1 -7 41.19 82.38 0.368 3.12 4 86.6 41.6
237 6 1 -5 41.191 82.381 0.368 3.12 4 53.5 15.9
238 0 2 6 41.207 82.415 0.368 3.12 4 93.8 48.9
239 1 1 -7 41.256 82.511 0.369 3.11 4 23.5 3.1
240 2 4 -2 41.342 82.684 0.369 3.1 4 27.7 4.2
241 6 0 0 41.361 82.722 0.369 3.1 2 9.9 0.3
242 0 3 5 42.198 84.396 0.375 3.02 4 13.4 1.0
243 5 1 2 42.246 84.493 0.376 3.02 4 86.6 40.3
244 1 4 2 42.26 84.52 0.376 3.01 4 45.3 11.0
245 5 2 1 42.274 84.548 0.376 3.01 4 80.7 35.0
246 4 3 1 42.417 84.834 0.377 3.0 4 30.0 4.8
247 1 4 -3 42.451 84.901 0.377 3.0 4 2.6 0.0
248 5 0 -7 42.577 85.154 0.378 2.99 2 77.1 15.8
249 0 0 7 42.686 85.372 0.379 2.98 2 86.9 20.0
250 3 2 4 42.715 85.43 0.379 2.98 4 64.7 22.2
251 6 2 -3 42.732 85.463 0.379 2.98 4 25.5 3.4
252 2 4 1 42.734 85.469 0.379 2.97 4 64.9 22.3
253 6 0 -6 42.735 85.471 0.379 2.97 2 70.0 13.0
254 6 1 0 42.748 85.496 0.379 2.97 4 18.0 1.7
255 2 4 -3 43.039 86.078 0.382 2.95 4 53.1 14.8
256 6 2 -2 43.042 86.084 0.382 2.95 4 92.7 45.1
257 2 2 5 43.08 86.159 0.382 2.95 4 10.5 0.6
258 0 4 3 43.257 86.513 0.383 2.93 4 6.0 0.2
259 5 3 -2 43.293 86.587 0.383 2.93 4 34.1 6.1
260 4 3 -5 43.331 86.662 0.384 2.93 4 88.6 41.0
261 5 3 -3 43.484 86.967 0.385 2.92 4 61.0 19.3
262 6 2 -4 43.499 86.997 0.385 2.92 4 107.0 59.5
263 3 0 5 43.536 87.072 0.385 2.91 2 74.8 14.5
264 5 2 -6 43.607 87.214 0.386 2.91 4 127.9 84.9
265 3 4 -1 43.713 87.427 0.386 2.9 4 27.0 3.8
266 4 2 3 43.82 87.639 0.387 2.9 4 102.5 54.2
267 3 4 -2 43.827 87.655 0.387 2.9 4 60.3 18.8
268 5 1 -7 43.959 87.918 0.388 2.89 4 22.2 2.5
269 3 2 -7 43.971 87.941 0.388 2.89 4 6.6 0.2
270 2 2 -7 43.992 87.985 0.388 2.88 4 1.1 0.0
271 4 0 4 44.063 88.126 0.389 2.88 2 118.2 35.9
272 0 1 7 44.068 88.136 0.389 2.88 4 45.3 10.6
273 6 1 -6 44.117 88.234 0.389 2.88 4 4.4 0.1
274 2 3 4 44.141 88.282 0.389 2.88 4 67.6 23.4
275 5 3 -1 44.179 88.359 0.39 2.87 4 81.4 33.9
276 3 3 3 44.353 88.706 0.391 2.86 4 77.7 30.8
277 6 2 -1 44.428 88.857 0.391 2.86 4 96.1 47.1
278 2 0 6 44.475 88.951 0.392 2.86 2 70.8 12.8
279 3 4 0 44.675 89.35 0.393 2.85 4 82.1 34.1
280 5 3 -4 44.749 89.498 0.394 2.84 4 33.4 5.7
281 7 0 -3 44.753 89.506 0.394 2.84 2 41.4 4.3
282 2 3 -6 44.901 89.801 0.395 2.83 4 60.9 18.7
283 6 0 1 44.905 89.811 0.395 2.83 2 52.6 7.0
284 1 2 6 44.911 89.821 0.395 2.83 4 21.6 2.4
285 3 1 5 44.916 89.832 0.395 2.83 4 4.9 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 1 5.558 11.116 9.23507 250.4 12.5 12.5 5.6
2 1 0 0 6.323 12.646 8.12159 143.3 7.1 7.1 5.6
3 1 0 -1 6.494 12.988 7.90841 2009.1 100.0 100.0 5.6
4 1 0 -2 10.34 20.68 4.98335 876.8 43.6 43.4 5.6
5 0 1 1 10.539 21.078 4.89036 77.5 3.9 3.8 5.6
6 1 1 0 10.968 21.937 4.70105 68.5 3.4 3.4 5.6
7 1 1 -1 11.07 22.139 4.6586 401.1 20.0 19.8 5.6
8 0 0 2 11.169 22.339 4.61754 168.4 8.4 8.3 5.6
9 2 0 -2 13.074 26.147 3.9542 92.1 4.6 4.5 5.6
10 1 1 1 13.475 26.951 3.83846 254.5 12.7 12.5 5.6
11 1 1 -2 13.724 27.449 3.77006 266.9 13.3 13.2 5.6
12 0 1 2 14.37 28.74 3.604 135.9 6.8 6.7 5.6
13 2 1 -1 14.717 29.433 3.52098 606.4 30.2 29.8 5.6
14 1 0 2 15.012 30.023 3.45331 76.2 3.8 3.7 5.6
15 2 1 0 15.63 31.26 3.31987 228.7 11.4 11.2 5.6
16 2 0 1 15.931 31.861 3.25884 220.7 11.0 10.8 5.6
17 2 0 -3 16.497 32.994 3.14988 64.4 3.2 3.2 5.6
18 3 0 -1 17.696 35.391 2.9427 24.0 1.2 1.2 5.7
19 1 1 -3 17.901 35.801 2.91006 758.2 37.7 37.1 5.7
20 0 2 0 18.078 36.155 2.8825 528.7 26.3 25.9 5.7
21 2 1 1 18.378 36.757 2.83695 154.7 7.7 7.6 5.7
22 2 1 -3 18.88 37.76 2.76419 24.2 1.2 1.2 5.7
23 0 2 1 18.97 37.94 2.75158 80.3 4.0 3.9 5.7
24 1 2 0 19.225 38.449 2.71648 1042.4 51.9 50.9 5.7
25 3 0 0 19.293 38.586 2.7072 321.0 16.0 15.7 5.7
26 3 0 -3 19.835 39.669 2.63614 99.5 5.0 4.8 5.7
27 3 1 -1 19.954 39.908 2.62099 453.1 22.6 22.1 5.7
28 2 0 2 20.348 40.697 2.57231 346.4 17.2 16.9 5.7
29 2 0 -4 21.038 42.075 2.49167 38.1 1.9 1.9 5.7
30 3 1 0 21.409 42.817 2.45046 217.0 10.8 10.5 5.7
31 0 2 2 21.457 42.914 2.44518 101.8 5.1 4.9 5.7
32 3 1 -3 21.907 43.814 2.39739 29.6 1.5 1.4 5.7
33 3 0 1 22.358 44.716 2.3514 88.8 4.4 4.3 5.7
34 2 2 -2 22.582 45.164 2.3293 179.2 8.9 8.7 5.7
35 1 1 -4 22.9 45.801 2.29861 194.9 9.7 9.4 5.7
36 2 1 -4 23.021 46.043 2.28719 47.6 2.4 2.3 5.7
37 3 0 -4 23.157 46.313 2.27457 216.9 10.8 10.5 5.7
38 4 0 -2 23.722 47.445 2.22334 27.4 1.4 1.3 5.7
39 1 2 2 23.841 47.682 2.2129 357.5 17.8 17.3 5.7
40 1 2 -3 24.097 48.194 2.1908 75.3 3.7 3.6 5.7
41 4 0 -1 24.242 48.483 2.17851 288.7 14.4 13.9 5.7
42 2 2 1 24.474 48.948 2.15909 324.2 16.1 15.6 5.7
43 0 1 4 24.666 49.333 2.14328 163.5 8.1 7.9 5.7
44 2 2 -3 24.874 49.748 2.12649 279.5 13.9 13.5 5.7
45 0 2 3 25.158 50.315 2.10407 212.4 10.6 10.2 5.8
46 2 0 3 25.494 50.987 2.07815 118.6 5.9 5.7 5.8
47 3 2 -1 25.746 51.491 2.05919 38.4 1.9 1.8 5.8
48 4 1 -1 26.035 52.07 2.03786 42.0 2.1 2.0 5.8
49 2 0 -5 26.267 52.534 2.02111 26.9 1.3 1.3 5.8
50 4 1 -3 26.418 52.836 2.01038 37.6 1.9 1.8 5.8
51 1 0 -5 26.784 53.567 1.98495 39.3 2.0 1.9 5.8
52 2 1 3 27.227 54.455 1.95501 51.1 2.5 2.4 5.8
53 3 2 -3 27.374 54.749 1.94531 67.8 3.4 3.2 5.8
54 2 2 2 27.778 55.557 1.91923 174.5 8.7 8.4 5.8
55 1 1 4 28.053 56.106 1.90195 22.8 1.1 1.1 5.8
56 3 1 2 28.184 56.368 1.89383 49.0 2.4 2.3 5.8
57 1 2 -4 28.223 56.446 1.89141 54.6 2.7 2.6 5.8
58 2 2 -4 28.327 56.654 1.88503 204.6 10.2 9.8 5.8
59 1 3 -1 28.62 57.241 1.86733 32.8 1.6 1.6 5.8
60 0 0 5 28.965 57.93 1.84701 48.8 2.4 2.3 5.8
61 3 1 -5 29.131 58.263 1.83738 24.5 1.2 1.2 5.8
62 3 2 1 29.4 58.801 1.82205 59.1 2.9 2.8 5.8
63 0 2 4 29.76 59.52 1.802 62.4 3.1 3.0 5.8
64 1 3 1 29.793 59.587 1.80018 37.8 1.9 1.8 5.8
65 1 3 -2 29.925 59.85 1.79298 26.4 1.3 1.3 5.8
66 3 2 -4 30.062 60.123 1.7856 57.0 2.8 2.7 5.8
67 5 0 -2 30.236 60.472 1.77625 153.0 7.6 7.3 5.8
68 2 3 -1 30.469 60.937 1.76399 99.2 4.9 4.7 5.8
69 4 2 -2 30.536 61.071 1.76049 112.6 5.6 5.3 5.8
70 2 3 0 30.994 61.988 1.73699 73.2 3.6 3.5 5.8
71 2 0 4 31.2 62.4 1.72665 35.6 1.8 1.7 5.8
72 4 1 -5 31.84 63.679 1.69552 98.4 4.9 4.7 5.9
73 5 1 -3 32.01 64.019 1.68747 35.8 1.8 1.7 5.9
74 2 0 -6 32.051 64.101 1.68553 114.2 5.7 5.4 5.9
75 1 3 -3 32.397 64.793 1.66947 79.2 3.9 3.7 5.9
76 4 2 0 32.606 65.211 1.65994 83.7 4.2 3.9 5.9
77 2 1 4 32.736 65.472 1.65406 74.9 3.7 3.5 5.9
78 5 1 -1 32.778 65.556 1.65217 77.7 3.9 3.7 5.9
79 3 2 2 32.916 65.831 1.64603 58.1 2.9 2.7 5.9
80 3 1 3 32.968 65.937 1.6437 61.5 3.1 2.9 5.9
81 1 0 -6 33.056 66.113 1.63982 139.7 7.0 6.6 5.9
82 1 2 -5 33.17 66.341 1.63482 100.2 5.0 4.7 5.9
83 4 2 -4 33.271 66.542 1.63043 377.8 18.8 17.8 5.9
84 5 0 0 33.413 66.826 1.62432 49.6 2.5 2.3 5.9
85 2 1 -6 33.565 67.131 1.6178 29.5 1.5 1.4 5.9
86 3 3 -1 33.774 67.548 1.60898 118.2 5.9 5.6 5.9
87 1 1 5 34.1 68.2 1.59544 127.3 6.3 6.0 5.9
88 1 1 -6 34.548 69.097 1.57725 22.4 1.1 1.0 5.9
89 4 0 -6 34.606 69.212 1.57494 132.7 6.6 6.2 5.9
90 4 1 2 34.781 69.563 1.56799 175.3 8.7 8.2 5.9
91 1 3 -4 35.91 71.821 1.52503 61.0 3.0 2.8 5.9
92 4 1 -6 36.068 72.136 1.51927 22.8 1.1 1.1 5.9
93 5 2 -1 37.187 74.373 1.47988 24.6 1.2 1.1 6.0
94 0 3 4 37.272 74.544 1.47699 24.5 1.2 1.1 6.0
95 5 2 -4 37.776 75.553 1.46015 113.5 5.6 5.3 6.0
96 2 2 -6 37.933 75.866 1.45503 174.5 8.7 8.1 6.0
97 5 1 1 38.073 76.146 1.45047 48.6 2.4 2.2 6.0
98 0 4 0 38.361 76.722 1.44125 284.4 14.2 13.1 6.0
99 6 1 -2 38.859 77.718 1.42565 31.9 1.6 1.5 6.0
100 2 1 5 38.897 77.795 1.42447 100.0 5.0 4.6 6.0
101 4 2 2 39.093 78.186 1.41848 147.0 7.3 6.8 6.0
102 6 1 -4 39.325 78.649 1.41146 66.5 3.3 3.1 6.0
103 5 1 -6 39.435 78.869 1.40816 20.7 1.0 1.0 6.0
104 3 1 -7 39.805 79.609 1.39722 102.0 5.1 4.7 6.0
105 5 2 -5 40.17 80.339 1.38664 30.6 1.5 1.4 6.0
106 6 1 -1 40.269 80.538 1.3838 85.2 4.2 3.9 6.1
107 1 1 6 40.757 81.515 1.37007 43.6 2.2 2.0 6.1
108 0 2 6 41.207 82.415 1.35774 106.4 5.3 4.9 6.1
109 5 1 2 42.246 84.493 1.33041 86.4 4.3 3.9 6.1
110 3 2 4 42.715 85.43 1.31857 82.8 4.1 3.7 6.1
111 6 2 -2 43.042 86.084 1.31049 60.0 3.0 2.7 6.1
112 4 3 -5 43.331 86.662 1.30348 41.0 2.0 1.8 6.1
113 6 2 -4 43.499 86.997 1.29945 78.8 3.9 3.6 6.1
114 5 2 -6 43.607 87.214 1.29687 84.9 4.2 3.8 6.2
115 4 2 3 43.82 87.639 1.29184 73.0 3.6 3.3 6.2
116 4 0 4 44.063 88.126 1.28616 46.4 2.3 2.1 6.2
117 2 3 4 44.141 88.282 1.28436 23.4 1.2 1.1 6.2
118 5 3 -1 44.179 88.359 1.28347 33.9 1.7 1.5 6.2
119 3 3 3 44.353 88.706 1.27949 30.8 1.5 1.4 6.2
120 6 2 -1 44.428 88.857 1.27777 47.1 2.3 2.1 6.2
121 3 4 0 44.675 89.35 1.2722 34.1 1.7 1.5 6.2
122 2 3 -6 44.901 89.801 1.26716 28.2 1.4 1.3 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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